methyl 5-(2-fluoro-4-nitrosoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate

C18H15FN4O5 — CID 88882923

IUPACmethyl 5-(2-fluoro-4-nitrosoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cn(C)c2c(c(Nc3ccc(N=O)cc3F)cc(=O)n2C)c1=O
InChIInChI=1S/C18H15FN4O5/c1-22-8-10(18(26)28-3)16(25)15-13(7-14(24)23(2)17(15)22)20-12-5-4-9(21-27)6-11(12)19/h4-8,20H,1-3H3
InChIKeyDAVZTSMCKXHCIS-UHFFFAOYSA-N
MW386.34 g/mol
LogP2.30
Rot. Bonds4

About methyl 5-(2-fluoro-4-nitrosoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate

methyl 5-(2-fluoro-4-nitrosoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate (PubChem CID 88882923) has the molecular formula C18H15FN4O5 and a molecular weight of 386.34 g/mol. Its IUPAC name is methyl 5-(2-fluoro-4-nitrosoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-fluoro-4-nitrosoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate
PubChem CID88882923
Molecular FormulaC18H15FN4O5
Molecular Weight386.34 g/mol
Exact Mass386.10
IUPAC Namemethyl 5-(2-fluoro-4-nitrosoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cn(C)c2c(c(Nc3ccc(N=O)cc3F)cc(=O)n2C)c1=O
InChIInChI=1S/C18H15FN4O5/c1-22-8-10(18(26)28-3)16(25)15-13(7-14(24)23(2)17(15)22)20-12-5-4-9(21-27)6-11(12)19/h4-8,20H,1-3H3
InChIKeyDAVZTSMCKXHCIS-UHFFFAOYSA-N
XLogP2.30
TPSA111.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 5-(2-fluoro-4-nitrosoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-(4-amino-2-fluoroanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate
CID 25072118
methyl 5-(2-fluoro-4-iodoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate
CID 25072119
5-(2-fluoro-4-iodoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylic acid
CID 25072121
methyl 2-(methylamino)-5-nitrosobenzoate
CID 82254168
methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate
CID 143711375
4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide
CID 11482748
4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxylic acid
CID 11580925
ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711337
2-fluoro-5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711329
CID 88870300
CID 88870300
4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 142980506
methyl 2-amino-3-(4-chloro-2-fluoroanilino)benzoate
CID 115545244

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-fluoro-4-nitrosoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 5-(2-fluoro-4-nitrosoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate (CID 88882923) is methyl 5-(2-fluoro-4-nitrosoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(2-fluoro-4-nitrosoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 5-(2-fluoro-4-nitrosoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate is COC(=O)c1cn(C)c2c(c(Nc3ccc(N=O)cc3F)cc(=O)n2C)c1=O.
What is the InChIKey of methyl 5-(2-fluoro-4-nitrosoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is DAVZTSMCKXHCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O5/c1-22-8-10(18(26)28-3)16(25)15-13(7-14(24)23(2)17(15)22)20-12-5-4-9(21-27)6-11(12)19/h4-8,20H,1-3H3.
What are the key properties of methyl 5-(2-fluoro-4-nitrosoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate?
methyl 5-(2-fluoro-4-nitrosoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 386.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-fluoro-4-nitrosoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 88882923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).